ethyl (2Z)-2-[(5E)-5-[(4-acetylanilino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate

C19H19N3O4S — CID 44579203

IUPACethyl (2Z)-2-[(5E)-5-[(4-acetylanilino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate
SMILESCCOC(=O)/C(C#N)=c1\s/c(=C/Nc2ccc(C(C)=O)cc2)c(=O)n1CC
InChIInChI=1S/C19H19N3O4S/c1-4-22-17(24)16(27-18(22)15(10-20)19(25)26-5-2)11-21-14-8-6-13(7-9-14)12(3)23/h6-9,11,21H,4-5H2,1-3H3/b16-11+,18-15-
InChIKeyRMIKFPYOGZIARZ-MLRDEFNWSA-N
MW385.45 g/mol
LogP1.22
Rot. Bonds6

About ethyl (2Z)-2-[(5E)-5-[(4-acetylanilino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate

ethyl (2Z)-2-[(5E)-5-[(4-acetylanilino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate (PubChem CID 44579203) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5E)-5-[(4-acetylanilino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(5E)-5-[(4-acetylanilino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate
PubChem CID44579203
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Nameethyl (2Z)-2-[(5E)-5-[(4-acetylanilino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate
SMILESCCOC(=O)/C(C#N)=c1\s/c(=C/Nc2ccc(C(C)=O)cc2)c(=O)n1CC
InChIInChI=1S/C19H19N3O4S/c1-4-22-17(24)16(27-18(22)15(10-20)19(25)26-5-2)11-21-14-8-6-13(7-9-14)12(3)23/h6-9,11,21H,4-5H2,1-3H3/b16-11+,18-15-
InChIKeyRMIKFPYOGZIARZ-MLRDEFNWSA-N
XLogP1.22
TPSA101.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5E)-5-[(4-acetylanilino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate?
The IUPAC name of ethyl (2Z)-2-[(5E)-5-[(4-acetylanilino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate (CID 44579203) is ethyl (2Z)-2-[(5E)-5-[(4-acetylanilino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate.
What is the SMILES notation for ethyl (2Z)-2-[(5E)-5-[(4-acetylanilino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate?
The canonical SMILES for ethyl (2Z)-2-[(5E)-5-[(4-acetylanilino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate is CCOC(=O)/C(C#N)=c1\s/c(=C/Nc2ccc(C(C)=O)cc2)c(=O)n1CC.
What is the InChIKey of ethyl (2Z)-2-[(5E)-5-[(4-acetylanilino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate?
The InChIKey is RMIKFPYOGZIARZ-MLRDEFNWSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-4-22-17(24)16(27-18(22)15(10-20)19(25)26-5-2)11-21-14-8-6-13(7-9-14)12(3)23/h6-9,11,21H,4-5H2,1-3H3/b16-11+,18-15-.
What are the key properties of ethyl (2Z)-2-[(5E)-5-[(4-acetylanilino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate?
ethyl (2Z)-2-[(5E)-5-[(4-acetylanilino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate has a molecular weight of 385.45 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(5E)-5-[(4-acetylanilino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate is sourced from PubChem (CID 44579203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).